Convenient Synthesis of Binary and Fused Pyrazole Ring Systems: Accredited by Molecular Modeling and Biological Evaluation

Abstract

Binary and fused pyrazole ring systems have been synthesized through treatment of dehydroacetic acid (DHA) with different hydrazines. The geometrical studies were performed based on the density functional theory (DFT). This study assured the selectivity of chemical behavior of dehydroacetic acid towards binucleophilic reagent. Furthermore, the new synthesized compounds were evaluated antioxidant and anticancer agents.

An Efficient Approach for the Synthesis and Antitumor Evaluation of Novel Azo‐ and Anil‐Linked with 3‐Aminopyrazolo[3,4‐b]pyridine

“…Once more ketonic compounds were also utilized as fundamental components in the creation of binary and fused heterocyclic systems (Scheme 5). Treatment of heterocyclic amine 1 with pyrandione [36,37] 22 for usage as a building unit in the production of fused polyfunctional pyrazolo‐pyridinopyran 26 failed but gave the pyrazolo‐pyridine anchored pyranon derivative 25 . Compound 25 infrared spectrum revealed the apparition of new beaks at ν : 3426 and 1723 (OH enolic ) and (COO lactone ), respectively.…”

“…[35] Moreover, acetohydrazide 20 was furnished by boiling pyrazolopyridine 19a with N 2 H 4 .H 2 O, in EtOH instead of the Once more ketonic compounds were also utilized as fundamental components in the creation of binary and fused heterocyclic systems (Scheme 5). Treatment of heterocyclic amine 1 with pyrandione [36,37]…”

Enhanced performance of hydroxyl and cyano group functionalized graphitic carbon nitride for efficient removal of crystal violet and methylene blue from wastewater

“…Theoretical studies were applied through using density functional theory (DFT) of Gaussian 09 program package in the presence of a combination level of 6-311G (d to p) and (B3LYP) as exchange function for these computations to elucidate the adsorption mechanism of CV and MB dyes from wastewater at electronic scale on the basis of their expected quantum calculations. 4,30–32…”

Pyrazolyldiazonium Salts in the Synthesis of 4‐Amino‐1,3’‐bipyrazoles

“…The further development of bipyrazole chemistry opens up new, interesting perspectives and they are playing an increasingly important role in pharmaceutical research. [9][10][11][12] Particularly, 1,3'-bipyrazoles display a broad variety of therapeutic activities, which cover the range from anticancer, [13] antibacterial, [14] antiviral, [8,15] and antimalarial [8] agents to corticotropin releasing factor receptor-1 antagonists. [16] Additionally, they have been developed as pesticides, [17] lithium ionophores [18] or responsive luminophores.…”

“…Substituted 1,3'-bipyrazoles have mostly been prepared by the reaction of pyrazolyl hydrazines with 1,3-dicarbonyl compounds I, [13][14][15]20] whereas only some examples of the employment of 1,1-bispyrazolylperchloro-2-nitrobuta-1,3-diene II [15] and hydrazydoyl chlorides III [21] have been described (Scheme 2). Other approaches are based on CÀ H functionalization of substituted pyrazoles by 1H-pyrazole IV [22,23] or NÀ H modification of 1,3'-bipyrazoles V. [16,19] These methods, however, suffer from severe drawbacks.…”